2-(azetidin-3-yl)-1,3-oxazole;hydrochloride

C6H9ClN2O — CID 138040436

IUPAC2-(azetidin-3-yl)-1,3-oxazole;hydrochloride
SMILESCl.c1coc(C2CNC2)n1
InChIInChI=1S/C6H8N2O.ClH/c1-2-9-6(8-1)5-3-7-4-5;/h1-2,5,7H,3-4H2;1H
InChIKeyDITIFPDGQQWJBA-UHFFFAOYSA-N
MW160.60 g/mol
LogP0.78
Rot. Bonds1

About 2-(azetidin-3-yl)-1,3-oxazole;hydrochloride

2-(azetidin-3-yl)-1,3-oxazole;hydrochloride (PubChem CID 138040436) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1,3-oxazole;hydrochloride
PubChem CID138040436
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name2-(azetidin-3-yl)-1,3-oxazole;hydrochloride
SMILESCl.c1coc(C2CNC2)n1
InChIInChI=1S/C6H8N2O.ClH/c1-2-9-6(8-1)5-3-7-4-5;/h1-2,5,7H,3-4H2;1H
InChIKeyDITIFPDGQQWJBA-UHFFFAOYSA-N
XLogP0.78
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1,3-oxazole;hydrochloride?
The IUPAC name of 2-(azetidin-3-yl)-1,3-oxazole;hydrochloride (CID 138040436) is 2-(azetidin-3-yl)-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2-(azetidin-3-yl)-1,3-oxazole;hydrochloride?
The canonical SMILES for 2-(azetidin-3-yl)-1,3-oxazole;hydrochloride is Cl.c1coc(C2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yl)-1,3-oxazole;hydrochloride?
The InChIKey is DITIFPDGQQWJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.ClH/c1-2-9-6(8-1)5-3-7-4-5;/h1-2,5,7H,3-4H2;1H.
What are the key properties of 2-(azetidin-3-yl)-1,3-oxazole;hydrochloride?
2-(azetidin-3-yl)-1,3-oxazole;hydrochloride has a molecular weight of 160.60 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1,3-oxazole;hydrochloride is sourced from PubChem (CID 138040436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).